![tert-Butyl N-{9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-yl}-N-[(tert-butoxy)carbonyl]carbamate](https://resource.bocsci.com/structure/1152172-19-4.gif)
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| IUPAC Name: | tert-butyl N-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| Description: | tert-Butyl N-{9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-yl}-N-[(tert-butoxy)carbonyl]carbamate (CAS# 1152172-19-4) is used as a reactant in the synthesis of siderophore biosynthesis inhibitors for M. tuberculosis. |
| Molecular Weight: | 507.54 |
| Molecular Formula: | C23H33N5O8 |
| Canonical SMILES: | CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO)C |
| InChI: | InChI=1S/C23H33N5O8/c1-21(2,3)35-19(30)28(20(31)36-22(4,5)6)17-13-16(24-10-25-17)27(11-26-13)18-15-14(12(9-29)32-18)33-23(7,8)34-15/h10-12,14-15,18,29H,9H2,1-8H3/t12-,14-,15-,18-/m1/s1 |
| InChI Key: | HAVVIXOQRJHQMM-SCFUHWHPSA-N |
| Boiling Point: | 626.3±65.0 °C (Predicted) |
| Density: | 1.41±0.1 g/cm3(Predicted) |
| MDL: | MFCD26959129 |
| LogP: | 2.91270 |
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